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Isoamyl benzoate

CAS Registry Number®

94-46-2

CAS Name

Isoamyl benzoate

Molecular Formula

C12H16O2

Molecular Mass

192.25

Cite this Page

Isoamyl benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94-46-2 (retrieved 2024-12-23) (CAS RN: 94-46-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    261 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChIKey

InChIKey=MLLAPOCBLWUFAP-UHFFFAOYSA-N

SMILES

C(OCCC(C)C)(=O)C1=CC=CC=C1

Canonical SMILES

O=C(OCCC(C)C)C=1C=CC=CC1

Other Names for this Substance

  • 1-Butanol, 3-methyl-, 1-benzoate
  • Isopentyl alcohol, benzoate
  • 1-Butanol, 3-methyl-, benzoate
  • iso-Amyl benzoate
  • Isopentyl benzoate

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